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Ab initio calculations predict a singlet ground state for tetramethyleneethane

✍ Scribed by Du, Ping; Borden, Weston Thatcher


Book ID
126197294
Publisher
American Chemical Society
Year
1987
Tongue
English
Weight
290 KB
Volume
109
Category
Article
ISSN
0002-7863

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Ab initio calculation of electronic tran
✍ Annie Spielfiedel πŸ“‚ Article πŸ“… 2003 πŸ› Elsevier Science 🌐 English βš– 284 KB

Ab initio CI electronic dipole transition moments have been calculated for the transitions between singlet states of the hydrogen molecule correlating asymptotically with HðnlÞ þ Hð1sÞ (n ¼ 1; 2; 3). The investigated singlet-singlet transitions include the 30 ðn ¼ 3Þ inter-Rydberg transitions and th